2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

C25H20N8O2 — CID 171706500

IUPAC2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CN(C(=O)c1ccn3nccc3c1)CC2
InChIInChI=1S/C25H20N8O2/c34-24(27-21-3-1-2-17(13-21)23-28-30-31-29-23)18-5-4-16-7-10-32(15-20(16)12-18)25(35)19-8-11-33-22(14-19)6-9-26-33/h1-6,8-9,11-14H,7,10,15H2,(H,27,34)(H,28,29,30,31)
InChIKeyQNWXEZVLMOFQMP-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.97
Rot. Bonds4

About 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 171706500) has the molecular formula C25H20N8O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID171706500
Molecular FormulaC25H20N8O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CN(C(=O)c1ccn3nccc3c1)CC2
InChIInChI=1S/C25H20N8O2/c34-24(27-21-3-1-2-17(13-21)23-28-30-31-29-23)18-5-4-16-7-10-32(15-20(16)12-18)25(35)19-8-11-33-22(14-19)6-9-26-33/h1-6,8-9,11-14H,7,10,15H2,(H,27,34)(H,28,29,30,31)
InChIKeyQNWXEZVLMOFQMP-UHFFFAOYSA-N
XLogP2.97
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
2-(1,3-benzoxazole-5-carbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706403
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrazolo[1,5-a]pyridin-5-yl)methanone
CID 155498832
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
N-[3-(1-hydroxyethyl)phenyl]-2-(2-methyl-1,3-benzoxazole-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706444
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
2-(furo[3,2-b]pyridine-6-carbonyl)-N-[3-(methylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 171706397

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 171706500) is 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CN(C(=O)c1ccn3nccc3c1)CC2.
What is the InChIKey of 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is QNWXEZVLMOFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8O2/c34-24(27-21-3-1-2-17(13-21)23-28-30-31-29-23)18-5-4-16-7-10-32(15-20(16)12-18)25(35)19-8-11-33-22(14-19)6-9-26-33/h1-6,8-9,11-14H,7,10,15H2,(H,27,34)(H,28,29,30,31).
What are the key properties of 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazolo[1,5-a]pyridine-5-carbonyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 171706500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).